4-nitrofuran-2-ol

C4H3NO4 — CID 91496087

IUPAC4-nitrofuran-2-ol
SMILESO=[N+]([O-])c1coc(O)c1
InChIInChI=1S/C4H3NO4/c6-4-1-3(2-9-4)5(7)8/h1-2,6H
InChIKeyHMNWHBFODYYULZ-UHFFFAOYSA-N
MW129.07 g/mol
LogP0.89
Rot. Bonds1

About 4-nitrofuran-2-ol

4-nitrofuran-2-ol (PubChem CID 91496087) has the molecular formula C4H3NO4 and a molecular weight of 129.07 g/mol. Its IUPAC name is 4-nitrofuran-2-ol.

Molecular Properties

Compound Name4-nitrofuran-2-ol
PubChem CID91496087
Molecular FormulaC4H3NO4
Molecular Weight129.07 g/mol
Exact Mass129.01
IUPAC Name4-nitrofuran-2-ol
SMILESO=[N+]([O-])c1coc(O)c1
InChIInChI=1S/C4H3NO4/c6-4-1-3(2-9-4)5(7)8/h1-2,6H
InChIKeyHMNWHBFODYYULZ-UHFFFAOYSA-N
XLogP0.89
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.07
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-nitrofuran-2-ol?
The IUPAC name of 4-nitrofuran-2-ol (CID 91496087) is 4-nitrofuran-2-ol.
What is the SMILES notation for 4-nitrofuran-2-ol?
The canonical SMILES for 4-nitrofuran-2-ol is O=[N+]([O-])c1coc(O)c1.
What is the InChIKey of 4-nitrofuran-2-ol?
The InChIKey is HMNWHBFODYYULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO4/c6-4-1-3(2-9-4)5(7)8/h1-2,6H.
What are the key properties of 4-nitrofuran-2-ol?
4-nitrofuran-2-ol has a molecular weight of 129.07 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrofuran-2-ol is sourced from PubChem (CID 91496087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).